%chk=000125738.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000125738

0 1
 O   -2.229300       1.748400      -1.533000    
 O   -3.824500       1.542300       1.680000    
 C   -1.588900     -3.2299999E-02 -9.3400002E-02
 C  -0.1635000     -0.1338000     -4.4000000E-02
 C   -2.290400       1.316000     -0.1752000    
 C   0.4275000      -1.419800     -1.9999999E-04
 C   0.7128000      0.9794000     -4.3600000E-02
 C   -2.378000      -1.204200     -0.1322000    
 C   -3.765800       1.304400      0.2719000    
 C    1.825000      -1.558400      5.9599999E-02
 C    2.112400      0.8442000      1.4000000E-02
 C    2.675800     -0.4442000      6.9200002E-02
 C  -0.3812000      -2.562500     -2.5900001E-02
 C   -1.766700      -2.458600     -9.9399999E-02
 C   -3.839600      -1.133500     -0.2173000    
 C   -4.482000      2.1500001E-02 -1.3000000E-02
 C   0.2399000       2.399800     -0.1858000    
 C    2.433800      -2.935600      0.1124000    
 C    2.961300       1.964500      1.7700000E-02
 C    4.072800     -0.5848000      0.1285000    
 C    4.346600       1.810700      7.7000000E-02
 C    4.902000      0.5366000      0.1327000    
 H   -1.851800       2.047300      0.4924000    
 H   -4.308800       2.119500     -0.2223000    
 H   6.3000000E-03  -3.574300      3.2000002E-02
 H   -2.361200      -3.369400     -0.1198000    
 H   -4.397300      -2.044100     -0.4091000    
 H   -5.567800      3.8400002E-02 -3.8199998E-02
 H  -0.1250000       2.796300      0.7655000    
 H   0.9749000       3.131400     -0.5153000    
 H  -0.4155000       2.540600      -1.031700    
 H    2.429900      -3.311700       1.140500    
 H    1.908500      -3.643300     -0.5363000    
 H    3.448900      -3.003200     -0.2815000    
 H    2.653800       3.000900      5.0700001E-02
 H    4.583500      -1.537300      0.2068000    
 H   -2.592500       1.043700      -2.096300    
 H   -3.516100       2.450800       1.838300    
 H    4.991700       2.684400      9.7499996E-02
 H    5.979900      0.4162000      0.1900000    


%chk=000125738-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000125738

0 1
O -2.648399 1.885560 -1.509562
O -3.590892 1.244906 2.067145
C -1.601799 0.016153 -0.238853
C -0.141502 -0.067486 -0.247197
C -2.379957 1.325968 -0.147375
C 0.459673 -1.408743 -0.143386
C 0.747458 1.060180 -0.338639
C -2.391073 -1.153588 -0.276517
C -3.743785 1.250815 0.591676
C 1.864184 -1.598161 0.036427
C 2.142006 0.875359 -0.058116
C 2.707860 -0.454373 0.161063
C -0.398338 -2.564562 -0.238051
C -1.771396 -2.446416 -0.337921
C -3.861341 -1.098093 -0.180029
C -4.526228 0.013201 0.240115
C 0.305577 2.442935 -0.806300
C 2.421672 -3.013699 0.098970
C 3.033415 2.010210 0.026437
C 4.115894 -0.556821 0.467404
C 4.383800 1.868222 0.325599
C 4.934024 0.564061 0.550192
H -1.785282 2.109052 0.345312
H -4.295962 2.160594 0.271564
H 0.047701 -3.561537 -0.212670
H -2.405018 -3.338811 -0.399907
H -4.410381 -2.023308 -0.396654
H -5.610213 0.018492 0.390205
H 0.176536 3.160447 0.029612
H 1.073082 2.871237 -1.474556
H -0.628097 2.409703 -1.385161
H 2.033556 -3.567377 0.975243
H 2.143993 -3.591434 -0.802244
H 3.518329 -3.033230 0.158984
H 2.631068 3.016233 -0.115828
H 4.556436 -1.538883 0.657785
H -3.009750 1.150887 -2.070018
H -3.279143 2.142828 2.353606
H 5.027198 2.751811 0.401072
H 5.996492 0.453966 0.793771


